2-甲基丁醛（CAS 96-17-3）：分子式 C5H10O、分子量 86.13。
| CAS号 | 96-17-3 |
|---|---|
| 分子式 | C5H10O |
| 分子量 | 86.13 |
| 熔点 | 91.00 °C. @ 760.00 mm Hg |
| 沸点 | 90.00 to 93.00 °C. @ 760.00 mm Hg |
| LogP | 1.1 |
2-甲基丁醛 是一种化工化合物，登记 CAS 号为 96-17-3，分子式 C5H10O（分子量 86.13）。
登记 CAS 号：96-17-3
其分子式 C5H10O 由 5 个碳、10 个氢、1 个氧 组成。
别名/同义词：2-甲基丁醛 · 2-Methylbutyraldehyde
2-甲基丁醛 的 CAS 登记号为 96-17-3。
分子式 C5H10O，分子量 86.13。
别名/同义词：2-甲基丁醛、2-Methylbutyraldehyde。
2-甲基丁醛（CAS 96-17-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 96-17-3 |
|---|---|
| PubChem CID | 7284 |
| Molecular formula | C5H10O |
| Molecular weight | 86.07 g/mol |
| IUPAC name | 2-methylbutanal |
| InChIKey | BYGQBDHUGHBGMD-UHFFFAOYSA-N |
| UNII (FDA) | 47H597M1YY |
| ChEBI ID | CHEBI:16182 |
| FEMA number | 2691 |
| JECFA number | 254 |
| Molecular Weight | 86.13 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 86.073164938 |
| Monoisotopic Mass | 86.073164938 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 6 |
| Boiling Point | 90.00 to 93.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 93 °C |
| Melting Point | 91.00 °C. @ 760.00 mm Hg |
| Density | 0.799-0.804 |
| Vapor Pressure | 47.4 [mmHg] |
| Refractive Index | 1.388-1.393 |
2-Methylbutyraldehyde; 2-METHYLBUTANAL; 96-17-3; 2-Formylbutane; Butanal, 2-methyl-; Butyraldehyde, 2-methyl-; Methylethylacetaldehyde; alpha-Methylbutanal; Methyl ethyl acetaldehyde; alpha-Methylbutyraldehyde; FEMA No. 2691; DTXSID2021818; 47H597M1YY; NSC-77077; DTXCID201818; CHEBI:16182
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Cocoa, Fermented, Hazelnut, Malt No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H225, H317 (84.3%), H319, H335 (84.5%), H411 (84.2%), H401 |
|---|
H225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H317 (84.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
2-Methylbutyraldehyde is identified by CAS 96-17-3, molecular formula C5H10O and molecular weight 86.07 g/mol. UNII 47H597M1YY; ChEBI 16182; InChIKey BYGQBDHUGHBGMD-UHFFFAOYSA-N. Boiling Point: 90.00 to 93.00 °C. @ 760.00 mm Hg; Boiling Point: 93 °C; Melting Point: 91.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Methylbutyraldehyde